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8AFI
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GABARAP in complex with LIR motif of HsATG3
分子名称: ACETATE ION, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
著者Farnung, J, Benoit, R.M, Corn, J.E, Bode, J.W.
登録日2022-07-18
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Semisynthetic LC3 Probes for Autophagy Pathways Reveal a Noncanonical LC3 Interacting Region Motif Crucial for the Enzymatic Activity of Human ATG3.
Acs Cent.Sci., 9, 2023
8AFD
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CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
分子名称: (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ...
著者Boettcher, J, Kessler, D.
登録日2022-07-16
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.633 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFC
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CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
分子名称: 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Boettcher, J, Kessler, D.
登録日2022-07-16
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFB
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BU of 8afb by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
分子名称: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Boettcher, J, Kessler, D.
登録日2022-07-16
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AF8
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BU of 8af8 by Molmil
Room temperature SSX crystal structure of CTX-M-14 (5K dataset)
分子名称: Beta-lactamase, SULFATE ION
著者Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8AF7
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BU of 8af7 by Molmil
Room temperature SSX crystal structure of CTX-M-14 (10K dataset)
分子名称: Beta-lactamase, SULFATE ION
著者Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8AF6
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BU of 8af6 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames)
分子名称: Endo-1,4-beta-xylanase
著者Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8AF5
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BU of 8af5 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (10000 frames)
分子名称: Endo-1,4-beta-xylanase
著者Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8AF4
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BU of 8af4 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (40000 frames)
分子名称: Endo-1,4-beta-xylanase
著者Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
登録日2022-07-15
公開日2022-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8AF3
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BU of 8af3 by Molmil
Sterol carrier protein Artifical metalloenzyme incorporating Q111C mutation coupled to 2,2'-bipyridine
分子名称: COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ...
著者Richardson, J.M, Klemencic, E, Jarvis, A.G.
登録日2022-07-15
公開日2023-08-16
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
8AF1
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BU of 8af1 by Molmil
Beta-Lytic Protease from Lysobacter capsici
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Gabdulkhakov, A.G, Tishchenko, T.V, Kudryakova, I.V, Afoshin, A.S, Vasilyeva, N.V.
登録日2022-07-15
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural and Functional Characterization of beta-lytic Protease from Lysobacter capsici VKM B-2533 T.
Int J Mol Sci, 23, 2022
8AF0
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BU of 8af0 by Molmil
Crystal structure of human angiogenin and RNA duplex
分子名称: Angiogenin, GLYCEROL, RNA (5'-R(*GP*CP*CP*CP*GP*CP*CP*UP*GP*UP*CP*AP*CP*GP*CP*GP*GP*GP*C)-3')
著者Sievers, K, Ficner, R.
登録日2022-07-15
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of angiogenin dimer bound to double-stranded RNA.
Acta Crystallogr.,Sect.F, 78, 2022
8AEY
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BU of 8aey by Molmil
3 A CRYO-EM STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FERRITIN FROM TIMEPIX3 detector
分子名称: Ferritin BfrB
著者Zhang, Y, van Schayck, J.P, Knoops, K, Peters, P.J, Ravelli, R.B.G.
登録日2022-07-14
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Integration of an Event-driven Timepix3 Hybrid Pixel Detector into a Cryo-EM Workflow
Microsc Microanal, 2023
8AEU
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BU of 8aeu by Molmil
Structure of hMDM2 in complex with Nutlin-3a-aa
分子名称: 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2
著者Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T.
登録日2022-07-13
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group.
Chembiochem, 24, 2023
8AEP
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BU of 8aep by Molmil
Reductase domain of the carboxylate reductase of Neurospora crassa
分子名称: Acetyl-CoA synthetase-like protein, CHLORIDE ION, SULFATE ION
著者Daniel, B, Schrufer, A, Marlene, L, Sagmeister, T, Pavkov-Keller, T.
登録日2022-07-13
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Reductase Domain of a Fungal Carboxylic Acid Reductase and Its Substrate Scope in Thioester and Aldehyde Reduction.
Acs Catalysis, 12, 2022
8AEM
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BU of 8aem by Molmil
Structure of Compound 13 bound to CK2alpha
分子名称: 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-13
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AEL
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BU of 8ael by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (3mer).
分子名称: CALCIUM ION, GLY-GLY-GLY-THR-SER-VAL, GLYCEROL, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-07-13
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
8AEK
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BU of 8aek by Molmil
Structure of Compound 14 bound to CK2alpha
分子名称: 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-13
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AEJ
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BU of 8aej by Molmil
X-ray structure of Canis familiaris Odorant Binding Protein 3 bound to menthone
分子名称: (+)-menthone, Lipocalin Can f 6.0101
著者Schwartz, M, Briand, L.
登録日2022-07-13
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of dog odorant binding protein
To Be Published
8AEC
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BU of 8aec by Molmil
Structure of Compound 17 bound to CK2alpha
分子名称: 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Atkinson, E, Iegre, I, Francis, N, Venkitaraman, A, Spring, D, Hyvonen, M.
登録日2022-07-12
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AE8
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BU of 8ae8 by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 1~{H}-indol-5-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE
著者Snee, M, Katariya, M.
登録日2022-07-12
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
8AE7
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BU of 8ae7 by Molmil
The strucuture of Compound 15 bound to CK2alpha
分子名称: 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D.
登録日2022-07-12
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8AE6
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BU of 8ae6 by Molmil
Cryo-EM structure of the SEA complex wing (SEACIT)
分子名称: Maintenance of telomere capping protein 5, Nitrogen permease regulator 2, Nitrogen permease regulator 3, ...
著者Tafur, L, Loewith, R.
登録日2022-07-12
公開日2022-11-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the SEA complex.
Nature, 611, 2022
8ADQ
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BU of 8adq by Molmil
Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate and D-Glyceraldehyde
分子名称: 3-HYDROXYPYRUVIC ACID, BROMIDE ION, D-Glyceraldehyde, ...
著者Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
登録日2022-07-11
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
8ADM
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Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
著者Centorrino, F, Ottmann, C.
登録日2022-07-08
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023

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件を2024-08-14に公開中

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